CID 174529092

C11H17O2Si — CID 174529092

IUPAC—
SMILESCCc1c([Si](C)C)ccc(O)c1OC
InChIInChI=1S/C11H17O2Si/c1-5-8-10(14(3)4)7-6-9(12)11(8)13-2/h6-7,12H,5H2,1-4H3
InChIKeyTWZIYMMNYSSIET-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.92
Rot. Bonds3

About CID 174529092

CID 174529092 (PubChem CID 174529092) has the molecular formula C11H17O2Si and a molecular weight of 209.34 g/mol.

Molecular Properties

Compound NameCID 174529092
PubChem CID174529092
Molecular FormulaC11H17O2Si
Molecular Weight209.34 g/mol
Exact Mass209.10
IUPAC Name—
SMILESCCc1c([Si](C)C)ccc(O)c1OC
InChIInChI=1S/C11H17O2Si/c1-5-8-10(14(3)4)7-6-9(12)11(8)13-2/h6-7,12H,5H2,1-4H3
InChIKeyTWZIYMMNYSSIET-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174529092?
The IUPAC name of CID 174529092 (CID 174529092) is not available.
What is the SMILES notation for CID 174529092?
The canonical SMILES for CID 174529092 is CCc1c([Si](C)C)ccc(O)c1OC.
What is the InChIKey of CID 174529092?
The InChIKey is TWZIYMMNYSSIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2Si/c1-5-8-10(14(3)4)7-6-9(12)11(8)13-2/h6-7,12H,5H2,1-4H3.
What are the key properties of CID 174529092?
CID 174529092 has a molecular weight of 209.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174529092 is sourced from PubChem (CID 174529092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).